N-(1-adamantylcarbamothioyl)-2,2-diphenyl-ethanamide

Systemtic Name: N-(1-adamantylcarbamothioyl)-2,2-diphenyl-ethanamide Openeye Name: N-(1-adamantylcarbamothioyl)-2,2-diphenyl-acetamide CAS Name: N-[(1-adamantylamino)-sulfanylidenemethyl]-2,2-diphenylacetamide IUPAC Name: N-(1-adamantylcarbamothioyl)-2,2-diphenylacetamide Traditional Name: N-(1-adamantylthiocarbamoyl)-2,2-diphenyl-acetamide Formula: C25H28N2OS MolecularWeight: 404.56762

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=S)NC(=O)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=S)NC(=O)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C25H28N2OS/c28-23(22(20-7-3-1-4-8-20)21-9-5-2-6-10-21)26-24(29)27-25-14-17-11-18(15-25)13-19(12-17)16-25/h1-10,17-19,22H,11-16H2,(H2,26,27,28,29)